(5,5-dimethyl-1,3-thiazolidin-4-yl)-ethoxyphosphinic acid

C7H16NO3PS — CID 88697354

IUPAC(5,5-dimethyl-1,3-thiazolidin-4-yl)-ethoxyphosphinic acid
SMILESCCOP(=O)(O)C1NCSC1(C)C
InChIInChI=1S/C7H16NO3PS/c1-4-11-12(9,10)6-7(2,3)13-5-8-6/h6,8H,4-5H2,1-3H3,(H,9,10)
InChIKeyQHSGRFARLWRHGN-UHFFFAOYSA-N
MW225.25 g/mol
LogP1.61
Rot. Bonds3

About (5,5-dimethyl-1,3-thiazolidin-4-yl)-ethoxyphosphinic acid

(5,5-dimethyl-1,3-thiazolidin-4-yl)-ethoxyphosphinic acid (PubChem CID 88697354) has the molecular formula C7H16NO3PS and a molecular weight of 225.25 g/mol. Its IUPAC name is (5,5-dimethyl-1,3-thiazolidin-4-yl)-ethoxyphosphinic acid.

Molecular Properties

Compound Name(5,5-dimethyl-1,3-thiazolidin-4-yl)-ethoxyphosphinic acid
PubChem CID88697354
Molecular FormulaC7H16NO3PS
Molecular Weight225.25 g/mol
Exact Mass225.06
IUPAC Name(5,5-dimethyl-1,3-thiazolidin-4-yl)-ethoxyphosphinic acid
SMILESCCOP(=O)(O)C1NCSC1(C)C
InChIInChI=1S/C7H16NO3PS/c1-4-11-12(9,10)6-7(2,3)13-5-8-6/h6,8H,4-5H2,1-3H3,(H,9,10)
InChIKeyQHSGRFARLWRHGN-UHFFFAOYSA-N
XLogP1.61
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (5,5-dimethyl-1,3-thiazolidin-4-yl)-ethoxyphosphinic acid?
The IUPAC name of (5,5-dimethyl-1,3-thiazolidin-4-yl)-ethoxyphosphinic acid (CID 88697354) is (5,5-dimethyl-1,3-thiazolidin-4-yl)-ethoxyphosphinic acid.
What is the SMILES notation for (5,5-dimethyl-1,3-thiazolidin-4-yl)-ethoxyphosphinic acid?
The canonical SMILES for (5,5-dimethyl-1,3-thiazolidin-4-yl)-ethoxyphosphinic acid is CCOP(=O)(O)C1NCSC1(C)C.
What is the InChIKey of (5,5-dimethyl-1,3-thiazolidin-4-yl)-ethoxyphosphinic acid?
The InChIKey is QHSGRFARLWRHGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16NO3PS/c1-4-11-12(9,10)6-7(2,3)13-5-8-6/h6,8H,4-5H2,1-3H3,(H,9,10).
What are the key properties of (5,5-dimethyl-1,3-thiazolidin-4-yl)-ethoxyphosphinic acid?
(5,5-dimethyl-1,3-thiazolidin-4-yl)-ethoxyphosphinic acid has a molecular weight of 225.25 g/mol, XLogP of 1.61, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5,5-dimethyl-1,3-thiazolidin-4-yl)-ethoxyphosphinic acid is sourced from PubChem (CID 88697354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).